Basic information
- CAS
64709-43-9- Standard SMILES
COc1cc(C(=S)N2CCOCC2)cc(OC)c1O- InChIKey
ALPABHREUMPPOX-UHFFFAOYSA-N- Molecular formula
- C13H17NO4S
- Average molar mass
- 283.35 g/mol
- Monoisotopic mass
- 283.0878292
Names & identifiers
- Preferred name
- Morpholine, 4-((4-hydroxy-3,5-dimethoxyphenyl)thioxomethyl)-
- IUPAC
- (4-hydroxy-3,5-dimethoxyphenyl)-morpholin-4-ylmethanethione
Names & synonyms
64709-43-9BRN 05382954-((4-Hydroxy-3,5-dimethoxyphenyl)thioxomethyl)morpholineMorpholine, 4-((4-hydroxy-3,5-dimethoxyphenyl)thioxomethyl)-RefChem:357584Methanethione, (4-hydroxy-3,5-dimethoxyphenyl)-4-morpholinyl-Oprea1_687643MLS000703630CHEMBL1448270DTXSID40983343(4-hydroxy-3,5-dimethoxyphenyl)(morpholin-4-yl)methanethioneHMS2762H19
Show more names
STK221423AKOS000348217NCGC00245487-01SMR0002739952,6-dimethoxy-4-(4-morpholinylcarbonothioyl)phenol2,6-dimethoxy-4-(morpholin-4-ylcarbonothioyl)phenol(4-hydroxy-3,5-dimethoxyphenyl)-morpholin-4-ylmethanethione2,6-Dimethoxy-4-[(morpholin-4-yl)(sulfanyl)methylidene]cyclohexa-2,5-dien-1-one
Database identifiers
- CAS
64709-43-9- PubChem CID
- 799893
- DTXSID
DTXSID40983343- ChEMBL
CHEMBL1448270
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 83.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 295
Experimental & physicochemical properties
Solubility>42.5 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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